Information card for entry 1570945

Structure parameters

• Formula: C38.5 H25.5 O2
• Calculated formula: C38.5 H25.5 O2
• Title of publication: Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.
• Authors of publication: Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 5395 - 5400
• a: 18.0865 ± 0.0018 Å
• b: 18.3505 ± 0.0019 Å
• c: 19.254 ± 0.002 Å
• α: 100.696 ± 0.003°
• β: 102.593 ± 0.003°
• γ: 93.475 ± 0.002°
• Cell volume: 6094.1 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2163
• Residual factor for significantly intense reflections: 0.1126
• Weighted residual factors for significantly intense reflections: 0.2629
• Weighted residual factors for all reflections included in the refinement: 0.3034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No